5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide

C13H15ClN4O2S — CID 51113645

IUPAC5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c1Cl
InChIInChI=1S/C13H15ClN4O2S/c1-17-9-16-13(12(17)14)21(19,20)18(11-2-3-11)8-10-4-6-15-7-5-10/h4-7,9,11H,2-3,8H2,1H3
InChIKeyHEKGVTBWYUBDAW-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.82
Rot. Bonds5

About 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide

5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide (PubChem CID 51113645) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide
PubChem CID51113645
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c1Cl
InChIInChI=1S/C13H15ClN4O2S/c1-17-9-16-13(12(17)14)21(19,20)18(11-2-3-11)8-10-4-6-15-7-5-10/h4-7,9,11H,2-3,8H2,1H3
InChIKeyHEKGVTBWYUBDAW-UHFFFAOYSA-N
XLogP1.82
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide (CID 51113645) is 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is HEKGVTBWYUBDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-17-9-16-13(12(17)14)21(19,20)18(11-2-3-11)8-10-4-6-15-7-5-10/h4-7,9,11H,2-3,8H2,1H3.
What are the key properties of 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide?
5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-1-methyl-N-(pyridin-4-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 51113645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).